8-Bromo-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione CAS 255731-01-2
| CAS No. | 255731-01-2 |
| Molecular Formula | C16H17BrN4O2 |
| Molecular Weight | 377.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
8-Bromo-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 255731-01-2) is a high-purity analytical reference standard with the molecular formula C16H17BrN4O2 and a molecular weight of 377.24 g/mol.
Structurally, 8-Bromo-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione (C16H17BrN4O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 377.24 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 8-Bromo-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H17BrN4O2 |
| Molecular Weight | 377.24 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
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- 4-(5-(tert-Butyl)-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine (CAS 1431729-82-6)
- 2-(Dimethylamino)-5-(5-phenyloxazol-2-yl)benzaldehyde (CAS 831197-42-3)
- 3-[2-(morpholin-4-yl)ethyl]-6-phenyl-2-sulfanyl-3h,4h-thieno[3,2-d]pyrimidin-4-one (CAS 742118-91-8)
- [2-31]-Semaglutide C (x TFA Salt) (CAS CATO-C4X-2226118)
Why CATO?
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